SCHEMBL2616416

SCHEMBL2616416

Cc1ccc(C(C)(C)C)c(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.57
HSD17B2 P37059 2/20 0.55
FFAR4 Q5NUL3 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NOD2 Q9HC29 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
SLC40A1 Q9NP59 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2616417 0.89 METAP2 (0.62) METAP2HSD17B2FFAR4ALDH1A1MAPT
SCHEMBL7579963 0.82 METAP2 (0.69) METAP2FFAR4ALDH1A1MAPTLMNA
SCHEMBL10224268 0.82 ALDH1A1 (0.57) HSD17B2ALDH1A1MAPTLMNACA2
SCHEMBL2616424 0.81 METAP2 (0.63) METAP2FFAR4ALDH1A1MAPTLMNA
SCHEMBL19848200 0.79 METAP2 (0.57) METAP2FFAR4ALDH1A1MAPTLMNA
SCHEMBL16438044 0.78 METAP2 (0.60) METAP2FFAR4ALDH1A1MAPTLMNA
SCHEMBL12840705 0.78 GAA (0.69) METAP2HSD17B2FFAR4ALDH1A1MAPT
SCHEMBL578654 0.78 FFAR4 (0.68) METAP2FFAR4ALDH1A1MAPTLMNA
SCHEMBL13240438 0.77 HSD17B2 (0.49) METAP2HSD17B2FFAR4ALDH1A1MAPT
SCHEMBL8752472 0.76 HPGD (0.65) METAP2ALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-7932252-B2 CCR9 chemokine receptor modulators; treating inflammatory and immune diseases; inhibit the binding of chemokines, such as TECK (thymus-expressed chemokine), to the CCR9 receptor; 1-arylsulfonamido-2-aryl(alkyl)benzene compounds CHEMOCENTRYX, INC. (US) 2011-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 METAP2 2202/4885HSD17B2 1750/4885FFAR4 220/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 METAP2 2202/4885HSD17B2 1750/4885FFAR4 220/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.